iterations/neb0_image02_iter35_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.368147781911E+03 0.36815E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.427916975420E+01 -0.36387E+03 -0.34913E+03 842 0.195E+02
DAV: 3 -0.953706892088E+02 -0.99650E+02 -0.99305E+02 664 0.116E+02
DAV: 4 -0.100117342262E+03 -0.47467E+01 -0.47348E+01 720 0.290E+01
DAV: 5 -0.100211129366E+03 -0.93787E-01 -0.93747E-01 736 0.364E+00 0.223E+01
DAV: 6 -0.915982647634E+02 0.86129E+01 -0.30635E+01 696 0.298E+01 0.117E+01
DAV: 7 -0.907594614118E+02 0.83880E+00 -0.18234E+00 712 0.638E+00 0.483E+00
DAV: 8 -0.903701626717E+02 0.38930E+00 -0.57038E-01 688 0.431E+00 0.168E+00
DAV: 9 -0.902796309943E+02 0.90532E-01 -0.14088E-01 696 0.166E+00 0.435E-01
DAV: 10 -0.902727801831E+02 0.68508E-02 -0.41105E-02 720 0.121E+00 0.306E-01
DAV: 11 -0.902765998991E+02 -0.38197E-02 -0.68053E-03 616 0.459E-01 0.150E-01
DAV: 12 -0.902798011314E+02 -0.32012E-02 -0.57994E-03 616 0.442E-01 0.117E-01
DAV: 13 -0.902828103388E+02 -0.30092E-02 -0.92078E-04 789 0.268E-01 0.764E-02
DAV: 14 -0.902860043588E+02 -0.31940E-02 -0.16253E-03 629 0.200E-01 0.550E-02
DAV: 15 -0.902883522288E+02 -0.23479E-02 -0.43597E-04 872 0.150E-01 0.281E-02
DAV: 16 -0.902896459992E+02 -0.12938E-02 -0.27091E-04 656 0.821E-02 0.283E-02
DAV: 17 -0.902905634075E+02 -0.91741E-03 -0.11866E-04 658 0.638E-02 0.174E-02
DAV: 18 -0.902908641062E+02 -0.30070E-03 -0.14535E-04 664 0.709E-02 0.157E-02
DAV: 19 -0.902909851854E+02 -0.12108E-03 -0.17430E-05 455 0.359E-02 0.921E-03
DAV: 20 -0.902910336643E+02 -0.48479E-04 -0.21019E-05 544 0.227E-02 0.202E-03
DAV: 21 -0.902910723425E+02 -0.38678E-04 -0.36137E-06 431 0.931E-03 0.191E-03
DAV: 22 -0.902910875593E+02 -0.15217E-04 -0.17137E-06 469 0.554E-03 0.953E-04
DAV: 23 -0.902910934228E+02 -0.58635E-05 -0.19158E-06 420 0.683E-03
1 F= -.90291093E+02 E0= -.90296478E+02 d E =0.161539E-01